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621-34-1 molecular structure
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3-ethoxyphenol

ChemBase ID: 109064
Molecular Formular: C8H10O2
Molecular Mass: 138.1638
Monoisotopic Mass: 138.06807956
SMILES and InChIs

SMILES:
CCOc1cccc(O)c1
Canonical SMILES:
CCOc1cccc(c1)O
InChI:
InChI=1S/C8H10O2/c1-2-10-8-5-3-4-7(9)6-8/h3-6,9H,2H2,1H3
InChIKey:
VBIKLMJHBGFTPV-UHFFFAOYSA-N

Cite this record

CBID:109064 http://www.chembase.cn/molecule-109064.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethoxyphenol
IUPAC Traditional name
M-ethoxyphenol
Synonyms
m-ETHOXYPHENOL
3-Ethoxyphenol
Resorcinol monoethyl ether
3-Ethoxyphenol
3-乙氧基苯酚
CAS Number
621-34-1
EC Number
210-681-8
MDL Number
MFCD00016450
PubChem SID
162094735
PubChem CID
69306

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 69306 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.486525  H Acceptors
H Donor LogD (pH = 5.5) 1.8687726 
LogD (pH = 7.4) 1.8652949  Log P 1.8688172 
Molar Refractivity 39.2507 cm3 Polarizability 15.288709 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
28-31°C expand Show data source
Boiling Point
247°C expand Show data source
Flash Point
>93°C(199°F) expand Show data source
Density
1.070 expand Show data source
Refractive Index
1.5410 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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